propan-2-yl 4-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(4-methyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(4-methyl-6-oxo-2-phenethylsulfanyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[4-methyl-6-oxo-2-(phenethylthio)-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-methyl-6-oxo-2-phenethylsulfanylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[6-keto-4-methyl-2-(phenethylthio)pyrimidin-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCCC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C25H27N3O4S/c1-17(2)32-24(31)20-9-11-21(12-10-20)27-22(29)16-28-23(30)15-18(3)26-25(28)33-14-13-19-7-5-4-6-8-19/h4-12,15,17H,13-14,16H2,1-3H3,(H,27,29)